4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide

C24H16F4N6O2 — CID 118537218

IUPAC4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccc(OC(F)F)cc4F)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H16F4N6O2/c1-33-11-17(22(32-33)13-2-4-14(25)5-3-13)19-8-9-21-29-20(12-34(21)31-19)30-23(35)16-7-6-15(10-18(16)26)36-24(27)28/h2-12,24H,1H3,(H,30,35)
InChIKeyWXBLNLRVQMMJMT-UHFFFAOYSA-N
MW496.42 g/mol
LogP4.93
Rot. Bonds6

About 4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide

4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 118537218) has the molecular formula C24H16F4N6O2 and a molecular weight of 496.42 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
PubChem CID118537218
Molecular FormulaC24H16F4N6O2
Molecular Weight496.42 g/mol
Exact Mass496.13
IUPAC Name4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccc(OC(F)F)cc4F)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H16F4N6O2/c1-33-11-17(22(32-33)13-2-4-14(25)5-3-13)19-8-9-21-29-20(12-34(21)31-19)30-23(35)16-7-6-15(10-18(16)26)36-24(27)28/h2-12,24H,1H3,(H,30,35)
InChIKeyWXBLNLRVQMMJMT-UHFFFAOYSA-N
XLogP4.93
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 118537218) is 4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is Cn1cc(-c2ccc3nc(NC(=O)c4ccc(OC(F)F)cc4F)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The InChIKey is WXBLNLRVQMMJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N6O2/c1-33-11-17(22(32-33)13-2-4-14(25)5-3-13)19-8-9-21-29-20(12-34(21)31-19)30-23(35)16-7-6-15(10-18(16)26)36-24(27)28/h2-12,24H,1H3,(H,30,35).
What are the key properties of 4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 496.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 118537218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).